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2D Structure
Also known as: [6-[benzoyl(methyl)amino]-5-methyl-3-pyridyl]boronic acid, [6-[benzoyl(methyl)amino]-5-methyl-3-pyridyl]boronicacid, Amy4301, Dtxsid701184664, Cs-0203502, Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-
Molecular Formula
C14H15BN2O3
Molecular Weight
270.09  g/mol
InChI Key
GQPKXFCXPPHXQJ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[6-[benzoyl(methyl)amino]-5-methylpyridin-3-yl]boronic acid
2.1.2 InChI
InChI=1S/C14H15BN2O3/c1-10-8-12(15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3
2.1.3 InChI Key
GQPKXFCXPPHXQJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C1=CC(=C(N=C1)N(C)C(=O)C2=CC=CC=C2)C)(O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. [6-[benzoyl(methyl)amino]-5-methyl-3-pyridyl]boronic Acid

2. [6-[benzoyl(methyl)amino]-5-methyl-3-pyridyl]boronicacid

3. Amy4301

4. Dtxsid701184664

5. Cs-0203502

6. Boronic Acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-

2.3 Create Date
2018-10-15
3 Chemical and Physical Properties
Molecular Weight 270.09 g/mol
Molecular Formula C14H15BN2O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area73.7
Heavy Atom Count20
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1